SCHEMBL6366331

SCHEMBL6366331

CC(C)CCCc1nc2c(C(C)C)n[nH]c2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.44
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ PDE9A O76083 3/20 0.33
▸ PDE1A P54750 3/20 0.33
▸ PDE1B Q01064 3/20 0.33
▸ PDE1C Q14123 3/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ SORT1 Q99523 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PARP1 P09874 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6374247 0.92 SORT1 (0.36) GPR84PDE3BPDE3APDE9APDE1A
SCHEMBL6374281 0.86 GPR84 (0.40) GPR84PDE3BPDE3APARP1
SCHEMBL6370949 0.85 GLA (0.41) PDE3BPDE3APDE9APDE1APDE1B
SCHEMBL6373595 0.83 TSHR (0.45) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6373585 0.81 ADORA3 (0.41) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6366982 0.81 DAO (0.50) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6365631 0.77 PDE9A (0.38) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6367335 0.76 PDE9A (0.36) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6367635 0.74 HTT (0.41) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6371045 0.74 PDE9A (0.46) PDE9APDE1APDE1BPDE1CPDE5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967204-B2 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC (US) 2005-11-22 — — US disclosed
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC 2005-03-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A GPR84 534/4885PDE3B 6/4885PDE3A 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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